LAMMPS rare-event teaching examples;units lj. Own quartic potential,not a materials force field. Native source LAMMPS30Sep2026 CPU MPI,Intel compiler/MPI build. The physical CPU8173M partition must be available before submitting run.slurm;otherwise wait or choose an authorized compatible CPU allocation. The reference examples used the same CPU executable on a compatible CPU host;not a CPU-node performance benchmark.
Unpack,cd lammps-rare-event-examples,bash results.sh,bash plot.sh.
To calculate:sbatch run.slurm tad-s74429 (or a case listed in PLAN.json).
PRD and TAD need4 one-rank partitions;hyper uses1rank. Do not run the production calculation in a login shell without allocation.
Hyper thermo output includes minimization,MD and repeated boundary steps;read MD blocks only,keep FIRST MD record for a repeated step when integrating the boost clock. The native per-step log is retained.
TAD E means an executed event,D a detected candidate,DF the current first candidate;initial E with N=0 is not a transition. One fixed seed has0executed events in this short run.
These few events do not establish a converged escape rate or a speedup. PRD dephasing,correlation checks and TAD tmax/T_hi need independent physical calibration for a real material.
All potential/table parameters and source data are teaching examples. No new potential fitting,DFT or experimental prediction.
